N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine

C15H20N2S — CID 71482498

IUPACN-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine
SMILESCN1Cc2ccccc2S/C1=N\C1CCCCC1
InChIInChI=1S/C15H20N2S/c1-17-11-12-7-5-6-10-14(12)18-15(17)16-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3/b16-15-
InChIKeyLZBJECMWRNZNKX-NXVVXOECSA-N
MW260.41 g/mol
LogP3.91
Rot. Bonds1

About N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine

N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine (PubChem CID 71482498) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine
PubChem CID71482498
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine
SMILESCN1Cc2ccccc2S/C1=N\C1CCCCC1
InChIInChI=1S/C15H20N2S/c1-17-11-12-7-5-6-10-14(12)18-15(17)16-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3/b16-15-
InChIKeyLZBJECMWRNZNKX-NXVVXOECSA-N
XLogP3.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine?
The IUPAC name of N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine (CID 71482498) is N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine.
What is the SMILES notation for N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine?
The canonical SMILES for N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine is CN1Cc2ccccc2S/C1=N\C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine?
The InChIKey is LZBJECMWRNZNKX-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2S/c1-17-11-12-7-5-6-10-14(12)18-15(17)16-13-8-3-2-4-9-13/h5-7,10,13H,2-4,8-9,11H2,1H3/b16-15-.
What are the key properties of N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine?
N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine has a molecular weight of 260.41 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4H-1,3-benzothiazin-2-imine is sourced from PubChem (CID 71482498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).